SCHEMBL15322142

SCHEMBL15322142

C=Cc1c(C)cc(C#N)cc1Cl

nearest known ligand 0.37

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
AR P10275 2/20 0.37
CRHR1 P34998 1/20 0.32
GPR35 Q9HC97 1/20 0.32
TTR P02766 1/20 0.31
ALB P02768 1/20 0.31
VCAM1 P19320 1/20 0.31
RAF1 P04049 1/20 0.30
ALDH1A1 P00352 1/20 0.30
CYP2A6 P11509 1/20 0.30
S1PR1 P21453 1/20 0.30

Click a target to see other patent compounds predicted against it — the reverse direction, in place.

Similar compounds — the chemically nearest patent molecules

Nearest neighbours by Morgan-fingerprint cosine across the patent-compound collection, with each neighbour's top predicted target and the predicted targets it shares with this molecule.

Compoundsimilaritytop predictedshared targets
SCHEMBL15320939 0.92 AR (0.33) ARGPR35VCAM1
SCHEMBL23832201 0.86 TTR (0.37) TTRALBVCAM1RAF1ALDH1A1
SCHEMBL15321415 0.81 AR (0.37) ARCRHR1GPR35TTRALB
SCHEMBL15321536 0.78 EGLN2 (0.36) TTRALBRAF1ALDH1A1CYP2A6
SCHEMBL7895709 0.77 HPGD (0.36) ARGPR35TTRALB
SCHEMBL7895710 0.77 HPGD (0.36) ARGPR35TTRALB
SCHEMBL1145042 0.75 AR (0.44) ARTTRALBVCAM1ALDH1A1
SCHEMBL13696502 0.74 AR (0.42) ARCRHR1GPR35TTRALB
SCHEMBL183056 0.74 RAPGEF4 (0.44) ALDH1A1
SCHEMBL29421109 0.74 RAPGEF4 (0.44) ALDH1A1

Similarity is cosine over the 2,048-bit Morgan fingerprint (≈ Tanimoto). Identical fingerprints score 1.00.

Patent provenance — the patents this molecule appears in, and who filed them

Claimed or disclosed in 2 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
WO-2013149996-A9 SUBSTITUTED TRICYCLIC COMPOUNDS WITH ACTIVITY TOWARDS EP1 RECEPTORS ALMIRALL, S.A. (ES) 2014-02-20 WO disclosed
WO-2013149996-A1 SUBSTITUTED TRICYCLIC COMPOUNDS WITH ACTIVITY TOWARDS EP1 RECEPTORS ALMIRALL, S.A. (ES) 2013-10-10 WO disclosed